1-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]-3-isopropyl-thiourea CAS Name: 1-[(E)-[3-[(4-fluorophenyl)-oxomethyl]-2-methyl-1-indolizinyl]methylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]-3-isopropyl-thiourea Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=NNC(=S)NC(C)C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1/C=N/NC(=S)NC(C)C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4OS/c1-13(2)24-21(28)25-23-12-17-14(3)19(26-11-5-4-6-18(17)26)20(27)15-7-9-16(22)10-8-15/h4-13H,1-3H3,(H2,24,25,28)/b23-12+